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Search term: CVVQMBDTMYUWTR-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2-Methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]-1-propanone | C23H20O6

2-Methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]-1-propanone

  • Molecular FormulaC23H20O6
  • Average mass392.401 Da
  • Monoisotopic mass392.125977 Da
  • ChemSpider ID23326307

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Propanone, 2-methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]- [ACD/Index Name]
2-Methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
2-Methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]-1-propanone [ACD/IUPAC Name]
2-Méthyl-1-[2,3,4-trihydroxy-5-(4-phénoxybenzoyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
2-methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]propan-1-one
2-methyl-1-[2,3,4-trihydroxy-5-(4-phenoxy-benzoyl)-phenyl]-propan-1-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 216.4±25.0 °C
Index of Refraction: 1.639
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 10961.46
ACD/KOC (pH 5.5): 22443.07
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 122.48
ACD/KOC (pH 7.4): 250.77
Polar Surface Area: 104 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 298.3±3.0 cm3

Click to predict properties on the Chemicalize site






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